CHEMBL3758679


SMILES COc1ccc2ccc3oc(CNC(=O)C4CC4)cc3c2c1
InChIKey WEFKQHLHMUQVJD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 295.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pKi 9.22 9.22 9.22 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.01 9.01 9.01 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 9.0 9.0 9.0 ChEMBL